2-(4-methoxycarbonyl-3-methyl-cyclohexa-1,3-dien-1-yl)sulfanylpropanoic acid

Systemtic Name: 2-(4-methoxycarbonyl-3-methyl-cyclohexa-1,3-dien-1-yl)sulfanylpropanoic acid Openeye Name: 2-(4-methoxycarbonyl-3-methyl-cyclohexa-1,3-dien-1-yl)sulfanylpropanoic acid CAS Name: 2-[(4-methoxycarbonyl-3-methyl-1-cyclohexa-1,3-dienyl)thio]propanoic acid IUPAC Name: 2-(4-methoxycarbonyl-3-methylcyclohexa-1,3-dien-1-yl)sulfanylpropanoic acid Traditional Name: 2-[(4-carbomethoxy-3-methyl-cyclohexa-1,3-dien-1-yl)thio]propionic acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CCC(=C1)SC(C)C(=O)O)C(=O)OC

Isomeric SMILES

CC1=C(CCC(=C1)SC(C)C(=O)O)C(=O)OC

InChI

InChI=1S/C12H16O4S/c1-7-6-9(17-8(2)11(13)14)4-5-10(7)12(15)16-3/h6,8H,4-5H2,1-3H3,(H,13,14)